We use density functional theory to study intrinsic defects and oxygen related defects in indium selenide. We find that InSe is prone to oxidation, but however not reacting with oxygen as strongly as phosphorene. The dominant intrinsic defects in In-rich material are the In interstitial, a shallow donor, and the Se vacancy, which introduces deep traps. The latter can be passivated by oxygen, which is isoelectronic with Se. The dominant intrinsic defects in Se-rich material have comparatively higher formation energies.

Nitrous oxide (N2O) emissions within the US Corn Belt have been previously estimated to be 200–900% larger than predictions from emission inventories, implying that one or more source categories in bottom‐up approaches are underestimated. Here we interpret hourly N2O concentrations measured during 2010 and 2011 at a tall tower using a time‐inverted transport model and a scale factor Bayesian inverse method to simultaneously constrain direct and indirect agricultural emissions. The optimization revealed that both agricultural source categories were underestimated by the Intergovernmental Panel on Climate Change (IPCC) inventory approach. However, the magnitude of the discrepancies differed substantially, ranging from 42 to 58% and from 200 to 525% for direct and indirect components, respectively. Optimized agricultural N2O budgets for the Corn Belt were 319 ± 184 (total), 188 ± 66 (direct), and 131 ± 118 Gg N yr−1 (indirect) in 2010, versus 471 ± 326, 198 ± 80, and 273 ± 246 Gg N yr−1 in 2011. We attribute the interannual differences to varying moisture conditions, with increased precipitation in 2011 amplifying emissions. We found that indirect emissions represented 41–58% of the total agricultural budget, a considerably larger portion than the 25–30% predicted in bottom‐up inventories, further highlighting the need for improved constraints on this source category. These findings further support the hypothesis that indirect emissions are presently underestimated in bottom‐up inventories. Based on our results, we suggest an indirect emission factor for runoff and leaching ranging from 0.014 to 0.035 for the Corn Belt, which represents an upward adjustment of 1.9–4.6 times relative to the IPCC and is in agreement with recent bottom‐up field studies.

Improved conductivity and suppressed dissolution of lithium polysulfides is highly desirable for high‐performance lithium‐sulfur (Li‐S) batteries. Herein, by a facile solvent method followed by nitridation with NH3, a 2D nitrogen‐doped carbon structure is designed with homogeneously embedded Co4N nanoparticles derived from metal organic framework (MOF), grown on the carbon cloth (MOF‐Co4N). Experimental results and theoretical simulations reveal that Co4N nanoparticles act as strong chemical adsorption hosts and catalysts that not only improve the cycling performance of Li‐S batteries via chemical bonding to trap polysulfides but also improve the rate performance through accelerating the conversion reactions by decreasing the polarization of the electrode. In addition, the high conductive nitrogen‐doped carbon matrix ensures fast charge transfer, while the 2D structure offers increased pathways to facilitate ion diffusion. Under the current density of 0.1C, 0.5C, and 3C, MOF‐Co4N delivers reversible specific capacities of 1425, 1049, and 729 mAh g−1, respectively, and retains 82.5% capacity after 400 cycles at 1C, as compared to the sample without Co4N (MOF‐C) values of 61.3% (200 cycles). The improved cell performance corroborates the validity of the multifunctional design of MOF‐Co4N, which is expected to be a potentially promising cathode host for Li‐S batteries.

In this study, the pristine graphene nanosheets (GNS) derived from chemical vapor deposition process were employed as catalyst support. In spite of the extremely hydrophobic GNS surface, ultrafine Pt nanoparticles (NPs) were successfully assembled on the GNS through a surfactant-free solution process. The evolution of Pt NPs in the GNS support was studied using transmission electron microscopy. It was found that the high-energy surface sites in the GNS, such as edges and defects, played a critical role on anchoring and stabilizing Pt nuclei, leading to the formation of Pt NPs on the GNS support. The concentration of the Pt precursor, i.e., H2PtCl6 solution had significant effects on the morphology of Pt/GNS hybrids. The resulting Pt/GNS hybrids were examined as catalysts for methanol electro-oxidation. It was indicated that the electrochemical active surface area and catalytic activity of the Pt/GNS hybrids were highly dependent on Pt loadings. The superior activity of the catalysts with low Pt loadings was attributed to the presence of Pt subnanoclusters as well as the strong chemical interaction of Pt NPs with the GNS support.

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Ultrafine Pt, PtRh, and PtRhNi particles were assembled on pristine graphene nanosheets (GNSs), and the resulting hybrids were examined as electrocatalysts for ethanol oxidation. The structures of the catalysts were characterized by using transmission electron microscopy and X‐ray diffraction. The bulk composition of the catalysts was determined by using energy‐dispersive X‐ray spectroscopy, and the surface composition of the nanoparticles was analyzed by using X‐ray photoelectron spectroscopy. The activity of the catalysts for ethanol electrooxidation was studied by using cyclic voltammetry, linear sweeping voltammetry, and chronoamperometry. The activity of the catalysts followed the order of Pt/GNS